UCSF

ZINC17072949

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 26 Yes

CAS Number:

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 7.69 -57.02 1 6 -1 82 350.446 3
Lo Low (pH 4.5-6) 3.58 7.82 -14.41 2 6 0 84 351.454 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )